Recently, Roger Monreal-Corona, Emili Besalú, Anna Pla-Quintana and Albert Poater reported in Organic & Biomolecular Chemistry on “Photoredox catalysis leading to triazolo-quinoxalinones at room temperature: selectivity of the rate determining step”. The interest in the fusion product of quinoxalinone skeletons and 1,2,3-triazole units has greatly increased in recent years since they are known to be
Institut de Química Computacional i Catàlisi
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Recently, Daniel Bosch, Jun Wang and Lluís Blancafort reported in Chemical Science on “Fingerprint-based deep neural networks can model thermodynamic and optical properties of eumelanin DHI dimers”. Eumelanin is the biopolymer responsible for photoprotection in living beings and holds great promise as a smart biomaterial, but its detailed structure has not been characterized experimentally. Theoretical models
The Journal of Organic Chemistry features on its front cover the recently published research article “Successive Diels–Alder Cycloadditions of Cyclopentadiene to [10]CPP?C60: A Computational Study”. The cover art describes computationally the functionalization of the [10]CPP?C60 by cyclopentadiene through successive Diels–Alder cycloadditions reaching the hexakis adduct system. The graphics depict the successive cycloadditions over the [10]CPP?C60
Dual-Function Enzyme Catalysis for Enantioselective Carbon–Nitrogen Bond Formation This study reports a new biocatalytic platform for creating new carbon-nitrogen bonds in a very selective and efficient way, with applications in the pharmaceutical and industrial fields. The selective formation of these bonds is relevant for the synthesis of new bioactive and pharmacological compounds. To achieve this,
The journal Dalton Transaction features on its front cover the recently published research article “Catalysis of CO2 reduction by diazapyridinophane complexes of Fe, Co, and Ni: CO2 binding triggered by combined frontier MO associations involving a SOMO”, a collaboration between Kyushu University and IQCC. The previous study on the photochemical CO2 reduction into CO catalyzed by the
The journal ChemElectroChem features on its front cover the recently published research article “The Dual Effect of Coordinating -NH Groups and Light in the Electrochemical CO2 Reduction with Pyridylamino Co Complexes”, a collaboration between ICIQ and IQCC. CO2 electroreduction could be improved by applying conceptualized strategies to overcome catalytic bottlenecks. In this regard, we report
The journal Chemistry-A European Journal included in the Hot Topic on C-C coupling the recently published review “Mechanistic Aspects of the Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Reaction”. Among the different reactions that lead to the formation of C-C bonds, the Suzuki-Miyaura approach has a fundamental role, at the level of basic research and industrial applications. In particular, the palladium
The journal Catalysis Science & Technology features on its front cover the recently published research article “Simultaneous screening of multiple substrates with an unspecific peroxygenase enabled modified alkane and alkene oxyfunctionalisations”, a collaboration between the research teams of Jun.-Prof. Martin Weissenborn (Leibniz Institute of Plant Biochemistry, Halle (Saale)) and Dr. Marc Garcia-Borràs. In this project,
The journal Journal of Materials Chemistry C features on its front cover the recently published paper “Photoinduced electron transfer in mechanically interlocked suit[3]ane systems”. Suitanes, a new class of two-component mechanically interlocked systems, have recently been developed. In this work, we report a detailed study of photoinduced electron-transfer processes in suit[3]anes consisting of a 3-fold
The journal Advanced Synthesis & Catalysis features on its front cover the recently published paper “Aromatic C?H Hydroxylation Reactions with Hydrogen Peroxide Catalyzed by Bulky Manganese Complexes”. The oxidation of aromatic substrates to phenols with H2O2 as a benign oxidant remains an ongoing challenge in synthetic chemistry. Herein, we successfully achieved to catalyze aromatic C?H